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7XS4
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BU of 7xs4 by Molmil
Crystal structure of URT1 in complex with AAAU RNA
分子名称: RNA (5'-R(*AP*AP*AP*U)-3'), UTP:RNA uridylyltransferase 1
著者Hu, Q, Zhu, L.R, lv, M.Q, Gong, Q.G.
登録日2022-05-12
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.846 Å)
主引用文献Molecular mechanism underlying the di-uridylation activity of Arabidopsis TUTase URT1.
Nucleic Acids Res., 50, 2022
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
7WWM
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BU of 7wwm by Molmil
S protein of Delta variant in complex with ZWC6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
7WWL
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BU of 7wwl by Molmil
S protein of Delta variant in complex with ZWD12
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
著者Guo, Y.Y, Zhang, Y.Y, Zhou, Q.
登録日2022-02-13
公開日2022-06-01
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
6DHM
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BU of 6dhm by Molmil
Bovine glutamate dehydrogenase complexed with zinc
分子名称: GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, Glutamate dehydrogenase 1, ...
著者Smith, T.J.
登録日2018-05-20
公開日2018-07-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
7F9O
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BU of 7f9o by Molmil
PSI-NDH supercomplex of Barley
分子名称: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
著者Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X.
登録日2021-07-04
公開日2021-12-22
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
6LZH
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BU of 6lzh by Molmil
Crystal structure of Alpha/beta hydrolase GrgF from Penicillium sp. sh18
分子名称: GrgF, SODIUM ION
著者Wang, H, Yu, J, Wang, W.G, Matsuda, Y, Yao, M.
登録日2020-02-19
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular Basis for the Biosynthesis of an Unusual Chain-Fused Polyketide, Gregatin A.
J.Am.Chem.Soc., 142, 2020
2CK0
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BU of 2ck0 by Molmil
ANTI-ANTI-IDIOTYPIC ANTIBODY AGAINST HUMAN ANGIOTENSIN II, COMPLEX WITH A SYNTHETIC CYCLIC PEPTIDE
分子名称: PROTEIN (11-MER; CYCLIC PEPTIDE), PROTEIN (IMMUNOGLOBULIN; HEAVY CHAIN), PROTEIN (IMMUNOGLOBULIN; LIGHT CHAIN)
著者Pan, Y.H, Amzel, L.M.
登録日1999-06-13
公開日2003-08-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of Angiotensin II and a Phage-Display Selected Cyclic Peptide in Complex with Fab131: Making Angiotensin II Analogs
To be Published
6DHN
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BU of 6dhn by Molmil
Bovine glutamate dehydrogenase complexed with Eu3+
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLUTAMIC ACID, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Smith, T.J.
登録日2018-05-20
公開日2018-07-25
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献A novel mechanism of V-type zinc inhibition of glutamate dehydrogenase results from disruption of subunit interactions necessary for efficient catalysis.
FEBS J., 278, 2011
6PUW
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BU of 6puw by Molmil
Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and Bictegravir (BIC)
分子名称: Bictegravir, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ...
著者Lyumkis, D, Jozwik, I.K, Passos, D.
登録日2019-07-18
公開日2020-02-12
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
7BQA
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BU of 7bqa by Molmil
Crystal structure of ASFV p35
分子名称: 60 kDa polyprotein
著者Li, G.B, Fu, D, Chen, C, Guo, Y.
登録日2020-03-24
公開日2020-06-24
最終更新日2021-05-05
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Crystal structure of the African swine fever virus structural protein p35 reveals its role for core shell assembly.
Protein Cell, 11, 2020
6DFL
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BU of 6dfl by Molmil
WaaP in complex with acyl carrier protein
分子名称: Acyl carrier protein, Lipopolysaccharide core heptose(I) kinase RfaP, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] hexadecanethioate
著者Chopra, R, Vash, B.
登録日2018-05-15
公開日2019-04-03
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Acylated-acyl carrier protein stabilizes the Pseudomonas aeruginosa WaaP lipopolysaccharide heptose kinase.
Sci Rep, 8, 2018
5YYL
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BU of 5yyl by Molmil
Structure of Major Royal Jelly Protein 1 Oligomer
分子名称: (3beta,14beta,17alpha)-ergosta-5,24(28)-dien-3-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tian, W, Chen, Z.
登録日2017-12-10
公開日2018-08-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Architecture of the native major royal jelly protein 1 oligomer.
Nat Commun, 9, 2018
8HB2
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BU of 8hb2 by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand II
分子名称: 2-OXOGLUTARIC ACID, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.06 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HBB
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BU of 8hbb by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand III
分子名称: CHLORIDE ION, DNA N6-methyl adenine demethylase, MANGANESE (II) ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
8HAZ
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BU of 8haz by Molmil
Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand I
分子名称: DNA N6-methyl adenine demethylase, SULFATE ION
著者Shang, G, Chen, Z.
登録日2022-10-27
公開日2024-02-07
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Structural Basis of Nucleic Acid Recognition and 6mA Demethylation by Caenorhabditis elegans NMAD-1A.
Int J Mol Sci, 25, 2024
7BV4
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BU of 7bv4 by Molmil
Crystal structure of STX17 LIR region in complex with GABARAP
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Gamma-aminobutyric acid receptor-associated protein, ...
著者Li, Y, Pan, L.F.
登録日2020-04-09
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Decoding three distinct states of the Syntaxin17 SNARE motif in mediating autophagosome-lysosome fusion.
Proc.Natl.Acad.Sci.USA, 117, 2020
6KJU
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BU of 6kju by Molmil
Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors
分子名称: 3,5-dimethylpyrazin-2-ol, Helix-turn-helix transcriptional regulator
著者Wu, H, Li, M.J, Guo, H.J, Zhou, H, Wang, W.W, Xu, Q, Xu, C.Y, Yu, F, He, J.H.
登録日2019-07-23
公開日2019-11-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Large conformation shifts of Vibrio cholerae VqmA dimer in the absence of target DNA provide insight into DNA-binding mechanisms of LuxR-type receptors.
Biochem.Biophys.Res.Commun., 520, 2019
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJU
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BU of 6lju by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[[3-chloranyl-4-(methylamino)-2-phenyl-phenyl]amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJX
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BU of 6ljx by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-phenylazanylbenzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJV
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BU of 6ljv by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 2-[[3-chloranyl-2-(2,3-dihydro-1-benzofuran-5-yl)phenyl]amino]benzoic acid, Fatty acid-binding protein, adipocyte
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.401 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJT
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BU of 6ljt by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(3-chloranyl-2-phenyl-phenyl)amino]benzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LJW
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BU of 6ljw by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 2-phenylazanylbenzoic acid, Fatty acid-binding protein, ...
著者Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
登録日2019-12-17
公開日2020-04-15
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
6LRI
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Human cGAS catalytic domain bound with compound 17
分子名称: 3-[5-(2-hydroxy-2-oxoethyl)-3-oxidanylidene-[1,2,4]triazino[2,3-a]benzimidazol-2-yl]propanoic acid, Cyclic GMP-AMP synthase, ZINC ION
著者Zhao, W.F, Xiong, M.Y, Yuan, X.J, Sun, H.B, Xu, Y.C.
登録日2020-01-16
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
J.Chem.Inf.Model., 60, 2020

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